Geometry & MOs

Info

ID:	63097
PubChem CID:	26744239
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	370.137851
ΔH_f, kcal/mol:	16.51
Dipole, Da:	1.71
IP(EA), eV:	-9.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-1-ium-3-ol

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)[C@@H]3C[C@H](CN3CC4=CC=CC=C4)O

DOS

IR

Vibrations